Issue 13, 2002

The second virial coefficient of the dipolar two center Lennard-Jones model

Abstract

The second virial coefficients of two-center Lennard-Jones molecules which contain an embedded point dipole have been determined via numerical integration. A number of models with different reduced bond lengths and dipole moments have been considered. For each model the second virial coefficient has been calculated for a number of temperatures. It is shown that the presence of the dipole moment significantly raises the Boyle temperature and, for a given temperature, reduces the value of the second virial coefficient with respect to the non-polar model. It is shown that the model can describe correctly the second virial coefficient of some refrigerants.

Supplementary files

Article information

Article type
Paper
Submitted
24 Jan 2002
Accepted
26 Feb 2002
First published
17 May 2002

Phys. Chem. Chem. Phys., 2002,4, 3000-3007

The second virial coefficient of the dipolar two center Lennard-Jones model

C. Vega, C. McBride and C. Menduiña, Phys. Chem. Chem. Phys., 2002, 4, 3000 DOI: 10.1039/B200781A

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